SCHEMBL30693097

SCHEMBL30693097

CCC(=O)CCC(=O)CCC(=O)CCC(=O)CC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
LMNA P02545 1/20 0.32
CTSD P07339 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IAPP P10997 1/20 0.31
FFAR3 O14843 1/20 0.30
KMT2A Q03164 2/20 0.30
HAO1 Q9UJM8 1/20 0.30
MEN1 O00255 1/20 0.30
FAAH O00519 1/20 0.30
TP53 P04637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30381889 0.84 TDP1 (0.47) TDP1KDM4ELMNAALDH1A1NPC1
SCHEMBL2418314 0.84
SCHEMBL14890319 0.81 TDP1 (0.50) TDP1KDM4ELMNACTSDALDH1A1
SCHEMBL868638 0.81
SCHEMBL8371300 0.81 TDP1 (0.64) TDP1KDM4EKDM6BKDM5CEGLN1
SCHEMBL13379743 0.81 TDP1 (0.64) TDP1KDM4EKDM6BKDM5CEGLN1
SCHEMBL30255411 0.81 TDP1 (0.64) TDP1KDM4EKDM6BKDM5CEGLN1
SCHEMBL8984748 0.81 TDP1 (0.64) TDP1KDM4EKDM6BKDM5CEGLN1
SCHEMBL4673667 0.79
SCHEMBL29625512 0.78 KDM4E (0.36) TDP1KDM4EKDM6BKDM5CEGLN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486875-A Benzoquinolone-sibiricin alkaloid compound and application thereof 山东大学 2024-02-02 CN claimed
CN-117486875-A Benzoquinolone-sibiricin alkaloid compound and application thereof 山东大学 2024-02-02 CN disclosed